Dibenzylamine (HCID 7656)

이름 및 식별자

우선 이름: Dibenzylamine
IUPAC: N-benzyl-1-phenylmethanamine
현지명: 디벤질아민
영어명: Dibenzylamine
분자식: C14H15N
분자량: 197.28

이름 및 동의어

Dibenzylamine103-49-1Benzenemethanamine, N-(phenylmethyl)-BibenzylamineN-(Phenylmethyl)benzenemethanamineDTXSID60443553G0YFX01C6NSC-4811DTXCID4024355RefChem:132868203-117-7N-benzyl-1-phenylmethanamine

이름 더 보기

다이벤질아민N-(페닐메칠)벤제네메타나민디벤질아민Accelerator DBADBZADIBAMVulcaid 28forLabetalol

N,N-DibenzylamineN-BenzylbenzylaminebisbenzylamineDIBENZYL-AMINE(N-Benzylaminomethyl)benzeneMFCD00004770NSC 4811N,N-Dibenylamine

데이터베이스 식별자

CAS: 103-49-1
PubChem CID: 7656
DTXSID: DTXSID6044355
ChEMBL: CHEMBL3182419
ChEBI: CHEBI:189125
UNII: 3G0YFX01C6
EC Number: 203-117-7
Nikkaji: J37.741D

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 137

실험 및 물리화학적 성질

Vapor Pressure0.00026 [mmHg]

Physical DescriptionLiquid with an ammoniacal odor; [Merck Index] Colorless liquid with a weak odor; [Alfa Aesar MSDS]

Ionization Efficiency · 6건

Positive

5

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index · 2건

1688.9；1670

2427；2473；2473

Collision Cross Section149.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6044355]；150.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6044355]

물리화학적 성질

녹는점: -26 °C · -26 °C (lit.)
끓는 점: 300 °C · 300 °C (lit.)
밀도: 1.026 g/mL · 1.026 g/mL at 25 °C (lit.)
증기압: 1 · 1-1013hPa at 113.1-286℃
굴절률: 20 · n20/D 1.574(lit.)
인화점: 290 °F · 290 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 0.4 g/L · 0.4g/L
물리적 상태: 액체
산도 계수 (pKa): 1 · pK1:8.52(+1) (25°C)
색상: 무색투명~연황색
수소이온지수(pH): 8.9 · 8.9 (H2O, 20℃)
냄새: 암모니아 같은 냄새
수용성: 0.05 g/L · 0.05g/L(20℃)
Merck: 14 · 14,3011
BRN: 909664 · 909664
Dielectric constant: 3.6 · 3.6(20℃)
안정성: 안정적인. 산화제, 산 무수물, 산, 산 염화물, 클로로포르메이트와 호환되지 않습니다.
InChI: 1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey: BWLUMTFWVZZZND-UHFFFAOYSA-N
SMILES: C(NCc1ccccc1)c2ccccc2
LogP: 2.67 at · 2.67 at 20℃
NIST: Dibenzylamine(103-49-1)
EPA: Dibenzylamine (103-49-1)

화학적 성질

colorless to light yellow oily liquid with ammonia odor. soluble in ethanol and ether, insoluble in water.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (75.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (24.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (42.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (24.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H410 (44.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H412 (18.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 256 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: Benzenemethanamine, N-(phenylmethyl)-

Benzenemethanamine, N-(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N-(phenylmethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 14-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11844；Status: Cease Manufacture Update: 06-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24936；Status: Cease Manufacture Update: 14-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7229

Dibenzylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS] See Diphenylamine.

Hazard Classes and CategoriesAcute Tox. 4 (99.6%)；Skin Corr. 1C (75.4%)；Skin Irrit. 2 (24.6%)；Eye Dam. 1 (42.2%)；Eye Irrit. 2 (24.6%)；Aquatic Chronic 1 (44.1%)；Aquatic Chronic 3 (18.8%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

규제 정보

Regulatory Information · 4건

Chemical: Benzenemethanamine, N-(phenylmethyl)-

Benzenemethanamine, N-(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N-(phenylmethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 14-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11844；Status: Cease Manufacture Update: 06-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24936；Status: Cease Manufacture Update: 14-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7229

Dibenzylamine: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2810
HS 번호: 29214980
risk_code: 22-36/38-52/53-34
hazard_code: Xn,Xi,C
safety_code: 26-61-45-36/37/39
포장분류: III
위험 등급: 8
기존화학 물질: KE-28393
위험 참고 사항: Irritant/Corrosive
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Skin Corr. 1C
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

UsesUsed in the detection of cobalt, cyanate, and iron; [Merck Index] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]

U.S. Production2022: 339,051 lb；2020: 523,600 lb

General Manufacturing InformationBenzenemethanamine, N-(phenylmethyl)-: ACTIVE

응용 분야 · 1건

용도Dibenzylamine is used to prepare rubber accelerator for the vulcanization process and reaction-stoppers. Dibenzylamine type accelerators reduce nitrosamine production in the compounding process. It is also used to produce dibenzyl-nitroso-amine.